>compound D-(+)-Trehalose_D-(+)-Trehalose
#instrument UPLC Q-Tof Premier, Waters
>formula C12H22O11
#smiles OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@@H](O2)[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)2
#RECORD LC-ESI-QTOF_train_data/PR100542.txt;LC-ESI-QTOF_train_data/PR100127.txt
>charge -1
>ionization [M-H]-
>parentmass 341.10841

>collision 5-60
59.0152 355.5
71.0148 581.4
85.0298 91.98
89.0249 516.9
101.0245 592.9
113.0245 261.1
119.0348 212.6
143.0354 82.99
161.0457 107.0
179.0561 385.5
341.1084 920.0

>collision 5-60
163.0857 2.92
297.041 5.013
325.1602 2.091
342.9413 2.107
343.0549 16.98
343.124 5.655
343.1771 4.766
343.6185 1.713

